N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-11-4-5-12(2)16(10-11)13(3)17-23(21,22)15-8-6-14(7-9-15)18(19)20/h4-10,13,17H,1-3H3